270028 VO+UE Symmetrie in der Chemie (2021W)

Aim:
Learn how to identify and understand the symmetry of molecules, and how symmetry can be used to deduce physical and chemical properties of molecules. Applications include molecular orbital theory, electronic structure, vibrational and UV/Vis spectroscopy, and reactivity.

Content:
1. Symmetry elements and symmetry operations
- Operations and elements
- Product of operations
2. Group theory
- Groups, subgroups and classes
- Multiplication tables
3. Symmetry point groups
- Classification, identify the point group of a molecule
4. Representations of groups
- Mathematical background: matrices
- Reducible and irreducible representations
- Non-degenerate and degenerate representations
- The Great Orthogonality theorem and its consequences
- Character tables, nomenclature
5. Applications in Chemistry
- Symmetry in the Schrödinger equation
- Symmetry in the Molecular Orbital theory
- Symmetry in spectroscopy
- Other applications: chemical reactions, ligand field theory, etc

Methods:
In-presence/virtual lectures and class exercises.
The classes will be organized primarily through Moodle.